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3hbcoa_c:-4 in iCN900
  • (S)-3-hydroxybutanoyl-CoA(4-)
  • Charge: -4
  • Formula: C25H38N7O18P3S
  • Compartment: c - cytosol
  • Universal Metabolite: 3hbcoa
CHEBI:57316
  • (S)-3-hydroxybutanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: QHHKKMYHDBRONY-VKBDFPRVSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 849.592[0], 850.0[1]
  • SMILES: C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
  • Names: (3S)-3-hydroxybutanoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (S)-3-Hydroxybutyryl-CoA[1], (S)-3-Hydroxybutanoyl-CoA[1], (S)-3-hydroxybutanoyl-CoA[1], L-3-hydroxybutyryl-CoA[1]
Data Sources: [0] CHEBI:57316 via ChEBI, [1] cpd00842 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57316 via ChEBI, [1] cpd00842 via ModelSEED
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:

This model contains 735 unconserved metabolites: ahcys_c, xmp_c, gam6p_c, agm_c, alaala_c, ...

The list of unconserved metabolites is computed using the algorithm described in section 3.2 of "Detection of Stoichiometric Inconsistencies in Biomolecular Models." Bioinformatics 24, no. 19 (2008): 2245. doi: 10.1093/bioinformatics/btn425.

Reactions involving 3hbcoa_c in iCN900
  BiGG ID Name Reference Transport Collection-specific Model
  BiGG ID Name Reference Transport Collection-specific Model